Determination of the crystal structure of Mg(AlH4)2by combined X-ray and neutron diffraction

被引：59
|
作者：
Fossdal, A
Brinks, HW
Fichtner, M
Hauback, BC
机构：
[1] Inst Energy Technol, Dept Phys, NO-2027 Kjeller, Norway
[2] Karlsruhe Res Ctr, Inst Nanotechnol, D-76021 Karlsruhe, Germany
来源：
JOURNAL OF ALLOYS AND COMPOUNDS | 2005年 / 387卷 / 1-2期
关键词：
hydrogen storage materials; crystal structure; neutron diffraction; synchrotron radiation; alanates;
D O I：
10.1016/j.jallcom.2004.06.050
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The structure of magnesium alanate, Mg(AlH4)(2), has been examined in detail by combined powder synchrotron X-ray and neutron diffraction. The space group is confirmed to be P (3) over barm 1 with unit cell dimensions of a = 5.2084(3) Angstrom and c = 5.8392(5) Angstrom at 8 K, a = 5.20309(12) Angstrom and c = 5.8400(2) Angstrom at 111 K and a = 5.1949(2) Angstrom and c = 5.8537(2) Angstrom at 295 K. The structure consists of isolated and slightly distorted AlH4- tetrahedra that are connected via six-coordinated Mg atoms in a distorted octahedral geometry, resulting in a sheet-like structure along the crystallographic c-axis. The distortion of the AlH4- tetrahedra decreases with increasing temperature, whereas, the opposite is the case for the MgH6 octahedra. The Al-H distances are 1.606(10)-1.634(4) Angstrom, 1.602(10)-1.682(3) Angstrom and 1.561(12)-1.672(4) Angstrom at 8, 111 and 295 K, respectively. (C) 2004 Elsevier B.V. All rights reserved.
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页码：47 / 51
页数：5
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